propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate

C9H17NO2 — CID 146294428

IUPACpropan-2-yl 3-(methylamino)cyclobutane-1-carboxylate
SMILESCNC1CC(C(=O)OC(C)C)C1
InChIInChI=1S/C9H17NO2/c1-6(2)12-9(11)7-4-8(5-7)10-3/h6-8,10H,4-5H2,1-3H3
InChIKeyDBXVMWXCRMVVIS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate

propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate (PubChem CID 146294428) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(methylamino)cyclobutane-1-carboxylate
PubChem CID146294428
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropan-2-yl 3-(methylamino)cyclobutane-1-carboxylate
SMILESCNC1CC(C(=O)OC(C)C)C1
InChIInChI=1S/C9H17NO2/c1-6(2)12-9(11)7-4-8(5-7)10-3/h6-8,10H,4-5H2,1-3H3
InChIKeyDBXVMWXCRMVVIS-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate?
The IUPAC name of propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate (CID 146294428) is propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate?
The canonical SMILES for propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate is CNC1CC(C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate?
The InChIKey is DBXVMWXCRMVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)12-9(11)7-4-8(5-7)10-3/h6-8,10H,4-5H2,1-3H3.
What are the key properties of propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate?
propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(methylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 146294428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).